Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 known ✓ | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 known ✓ | Q16654 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 19/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 19/20 | 0.43 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6561613 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6561620 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6562594 | 0.92 | ITGB1 (0.45) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6562587 | 0.92 | ITGB1 (0.45) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6560384 | 0.89 | ITGB1 (0.46) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6560380 | 0.81 | ITGB1 (0.54) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6560388 | 0.81 | ITGB1 (0.54) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6561202 | 0.78 | ITGB1 (0.51) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6563245 | 0.78 | ITGB1 (0.51) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6561198 | 0.78 | ITGB1 (0.51) | ITGB1ITGA4ITGA2ITGB7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144365-B1 | INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2004-03-17 | — | — | EP | disclosed |